(S)-3-Aminotetrahydropyran Hydrochloride - CAS 1245724-46-2

Catalog:	BB005911
Product Name:	(S)-3-Aminotetrahydropyran Hydrochloride
CAS:	1245724-46-2
Synonyms:	(3S)-3-oxanamine;hydrochloride; (3S)-oxan-3-amine;hydrochloride

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Computed Properties

IUPAC Name:	(3S)-oxan-3-amine;hydrochloride
Description:	(S)-3-Aminotetrahydropyran Hydrochloride (CAS# 1245724-46-2) is a useful research chemical compound.
Molecular Weight:	137.61
Molecular Formula:	C5H12ClNO
Canonical SMILES:	C1CC(COC1)N.Cl
InChI:	InChI=1S/C5H11NO.ClH/c6-5-2-1-3-7-4-5;/h5H,1-4,6H2;1H/t5-;/m0./s1
InChI Key:	RETPVBQTPDYSBS-JEDNCBNOSA-N
Storage:	Inert atmosphere, 2-8 °C
LogP:	1.62640

Publication Number	Title	Priority Date
WO-2021081375-A1	Inhibitors of raf kinases	20191024
US-11098031-B1	Inhibitors of RAF kinases	20191024
US-2021300904-A1	Inhibitors of raf kinases	20191024
WO-2020238785-A1	Methyl- and trifluoromethyl-containing disubstituted sulfonamide selective bcl-2 inhibitor	20190524
WO-2020088442-A1	Trifluoromethyl-substituted sulfonamide as bcl-2-selective inhibitor	20181029

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	56
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	1
Defined Bond Stereocenter Count:	0
Exact Mass:	137.0607417
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.0607417
Rotatable Bond Count:	0
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0